619-82-9

trans-1,4-Cyclohexanedicarboxybic acid(619-82-9) IR2

Product Nametrans-1,4-Cyclohexanedicarboxybic acid

CAS 619-82-9

Molecular FormulaC8H12O4

Molecular Weight172.18

InChIInChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-

InChIKey PXGZQGDTEZPERC-IZLXSQMJSA-N

Smiles[C@@H]1(C(O)=O)CC[C@@H](C(O)=O)CC1

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trans-1,4-Cyclohexanedicarboxybic acid(619-82-9) IR2
Mass

MS-NW-1667          
trans-1,4-cyclohexanedicarboxylic acid
C8H12O4             (Mass of molecular ion:    172)

   Source Temperature: 200 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      18.0       2.0
      26.0       1.3
      27.0      14.1
      28.0       2.7
      29.0       8.2
      31.0       1.5
      38.0       1.0
      39.0      16.5
      40.0       2.6
      41.0      24.4
      42.0       1.9
      43.0      18.2
      45.0       6.8
      47.0       1.1
      50.0       1.3
      51.0       3.0
      52.0       1.7
      53.0       9.9
      54.0      16.5
      55.0      12.7
      56.0       1.2
      57.0       3.7
      65.0       1.6
      66.0       5.1
      67.0      18.5
      68.0       3.5
      69.0       3.3
      71.0       1.0
      73.0       6.8
      77.0       3.5
      79.0      11.2
      80.0      27.2
      81.0     100.0
      82.0       8.3
      83.0       1.3
      85.0       1.2
      86.0       3.7
      94.0       1.7
      95.0       3.7
      97.0       3.2
      98.0       1.7
      99.0       1.3
     108.0      41.4
     109.0      13.7
     110.0       1.3
     111.0       2.5
     112.0       4.6
     125.0       1.3
     126.0      53.5
     127.0       6.0
     136.0       5.7
     154.0      22.8
     155.0       2.2